(3S,4S)-3-(1-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one

C10H16BrNOSi — CID 57302573

IUPAC(3S,4S)-3-(1-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one
SMILESCC(Br)[C@@H]1C(=O)N[C@@H]1C#C[Si](C)(C)C
InChIInChI=1S/C10H16BrNOSi/c1-7(11)9-8(12-10(9)13)5-6-14(2,3)4/h7-9H,1-4H3,(H,12,13)/t7?,8-,9+/m1/s1
InChIKeyXCNLCQZVPMXELA-ASODMVGOSA-N
MW274.23 g/mol
LogP1.77
Rot. Bonds1

About (3S,4S)-3-(1-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one

(3S,4S)-3-(1-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one (PubChem CID 57302573) has the molecular formula C10H16BrNOSi and a molecular weight of 274.23 g/mol. Its IUPAC name is (3S,4S)-3-(1-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-(1-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one
PubChem CID57302573
Molecular FormulaC10H16BrNOSi
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name(3S,4S)-3-(1-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one
SMILESCC(Br)[C@@H]1C(=O)N[C@@H]1C#C[Si](C)(C)C
InChIInChI=1S/C10H16BrNOSi/c1-7(11)9-8(12-10(9)13)5-6-14(2,3)4/h7-9H,1-4H3,(H,12,13)/t7?,8-,9+/m1/s1
InChIKeyXCNLCQZVPMXELA-ASODMVGOSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(1-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one?
The IUPAC name of (3S,4S)-3-(1-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one (CID 57302573) is (3S,4S)-3-(1-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-(1-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-3-(1-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one is CC(Br)[C@@H]1C(=O)N[C@@H]1C#C[Si](C)(C)C.
What is the InChIKey of (3S,4S)-3-(1-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one?
The InChIKey is XCNLCQZVPMXELA-ASODMVGOSA-N. The full InChI is InChI=1S/C10H16BrNOSi/c1-7(11)9-8(12-10(9)13)5-6-14(2,3)4/h7-9H,1-4H3,(H,12,13)/t7?,8-,9+/m1/s1.
What are the key properties of (3S,4S)-3-(1-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one?
(3S,4S)-3-(1-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one has a molecular weight of 274.23 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(1-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one is sourced from PubChem (CID 57302573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).